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Compound Detail

CHEMBL164551

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O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1N/N=C(\S)CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL164551
Phase Preclinical
Structure Type MOL
InChI Key POGDBSJQJPPCJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
4.36
ALogP
6
HBA
3
HBD
113.7
PSA (Ų)
0.13
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O4S2
MW 470.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
10715143 10.1021/jm991155o B2 bradykinin receptor 1

Data from ChEMBL 36 via Core Engine